1-(4,4-dimethylcyclohexyl)-5-methyl-2,3-dihydropyrrole

C13H23N — CID 175268780

IUPAC1-(4,4-dimethylcyclohexyl)-5-methyl-2,3-dihydropyrrole
SMILESCC1=CCCN1C1CCC(C)(C)CC1
InChIInChI=1S/C13H23N/c1-11-5-4-10-14(11)12-6-8-13(2,3)9-7-12/h5,12H,4,6-10H2,1-3H3
InChIKeyNXVROIFBQXKBLG-UHFFFAOYSA-N
MW193.33 g/mol
LogP3.56
Rot. Bonds1

About 1-(4,4-dimethylcyclohexyl)-5-methyl-2,3-dihydropyrrole

1-(4,4-dimethylcyclohexyl)-5-methyl-2,3-dihydropyrrole (PubChem CID 175268780) has the molecular formula C13H23N and a molecular weight of 193.33 g/mol. Its IUPAC name is 1-(4,4-dimethylcyclohexyl)-5-methyl-2,3-dihydropyrrole.

Molecular Properties

Compound Name1-(4,4-dimethylcyclohexyl)-5-methyl-2,3-dihydropyrrole
PubChem CID175268780
Molecular FormulaC13H23N
Molecular Weight193.33 g/mol
Exact Mass193.18
IUPAC Name1-(4,4-dimethylcyclohexyl)-5-methyl-2,3-dihydropyrrole
SMILESCC1=CCCN1C1CCC(C)(C)CC1
InChIInChI=1S/C13H23N/c1-11-5-4-10-14(11)12-6-8-13(2,3)9-7-12/h5,12H,4,6-10H2,1-3H3
InChIKeyNXVROIFBQXKBLG-UHFFFAOYSA-N
XLogP3.56
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.33
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4,4-dimethylcyclohexyl)pyrrolidin-2-one
CID 130233518
1-(3,3-dimethylcyclopentyl)-3,6-dihydro-2H-pyridine
CID 130638381
1-(4,4-dimethylcyclohexyl)-5,5-dimethyl-1,3-diazinane-2,4,6-trione
CID 112601085
1-(4,4-dimethylcyclohexyl)piperazin-2-one;hydrochloride
CID 67112219
1-(4,4-dimethylcyclohexyl)-3-fluoro-2-methylpyrrole
CID 175283011
1-(4,4-dimethylcyclohexyl)-4-methyl-5-(trifluoromethyl)pyrazole
CID 144911080
5-methyl-2,3-dihydropyrrol-1-amine
CID 54387342
1-(4,4-dimethylcyclohexyl)-4-methylimidazol-2-amine
CID 106574668
3-(4,4-dimethylcyclohexyl)-5-phenylimidazolidin-4-one
CID 83264000
9-(4,4-dimethylcyclohexyl)-7,9-diazaspiro[4.5]decane-6,8,10-trione
CID 115948526
3-chloro-4-(3,3-dimethylcyclopentyl)-1,2,4-triazole
CID 114551100
(3R)-1-(4,4-dimethylcyclohexyl)pyrrolidin-3-amine
CID 131065558

Frequently Asked Questions

What is the IUPAC name of 1-(4,4-dimethylcyclohexyl)-5-methyl-2,3-dihydropyrrole?
The IUPAC name of 1-(4,4-dimethylcyclohexyl)-5-methyl-2,3-dihydropyrrole (CID 175268780) is 1-(4,4-dimethylcyclohexyl)-5-methyl-2,3-dihydropyrrole.
What is the SMILES notation for 1-(4,4-dimethylcyclohexyl)-5-methyl-2,3-dihydropyrrole?
The canonical SMILES for 1-(4,4-dimethylcyclohexyl)-5-methyl-2,3-dihydropyrrole is CC1=CCCN1C1CCC(C)(C)CC1.
What is the InChIKey of 1-(4,4-dimethylcyclohexyl)-5-methyl-2,3-dihydropyrrole?
The InChIKey is NXVROIFBQXKBLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N/c1-11-5-4-10-14(11)12-6-8-13(2,3)9-7-12/h5,12H,4,6-10H2,1-3H3.
What are the key properties of 1-(4,4-dimethylcyclohexyl)-5-methyl-2,3-dihydropyrrole?
1-(4,4-dimethylcyclohexyl)-5-methyl-2,3-dihydropyrrole has a molecular weight of 193.33 g/mol, XLogP of 3.56, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,4-dimethylcyclohexyl)-5-methyl-2,3-dihydropyrrole is sourced from PubChem (CID 175268780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).